methoxy-[[(2S)-1-phenylpropan-2-yl]amino]methanol

C11H17NO2 — CID 156733135

IUPACmethoxy-[[(2S)-1-phenylpropan-2-yl]amino]methanol
SMILESCOC(O)N[C@@H](C)Cc1ccccc1
InChIInChI=1S/C11H17NO2/c1-9(12-11(13)14-2)8-10-6-4-3-5-7-10/h3-7,9,11-13H,8H2,1-2H3/t9-,11?/m0/s1
InChIKeyHKTOOCIVHREEPU-FTNKSUMCSA-N
MW195.26 g/mol
LogP1.13
Rot. Bonds5

About methoxy-[[(2S)-1-phenylpropan-2-yl]amino]methanol

methoxy-[[(2S)-1-phenylpropan-2-yl]amino]methanol (PubChem CID 156733135) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is methoxy-[[(2S)-1-phenylpropan-2-yl]amino]methanol.

Molecular Properties

Compound Namemethoxy-[[(2S)-1-phenylpropan-2-yl]amino]methanol
PubChem CID156733135
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Namemethoxy-[[(2S)-1-phenylpropan-2-yl]amino]methanol
SMILESCOC(O)N[C@@H](C)Cc1ccccc1
InChIInChI=1S/C11H17NO2/c1-9(12-11(13)14-2)8-10-6-4-3-5-7-10/h3-7,9,11-13H,8H2,1-2H3/t9-,11?/m0/s1
InChIKeyHKTOOCIVHREEPU-FTNKSUMCSA-N
XLogP1.13
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze methoxy-[[(2S)-1-phenylpropan-2-yl]amino]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R,3R)-3-[[(2R)-1-phenylpropan-2-yl]amino]butan-2-ol
CID 124512374
(2S,3S)-3-[[(2R)-1-phenylpropan-2-yl]amino]butan-2-ol
CID 124833939
(2S)-3-phenyl-2-(1-phenylpropan-2-ylamino)propan-1-ol
CID 107862363
N-(1-phenylpropan-2-yl)thiohydroxylamine
CID 23498394
(benzylamino)-methoxymethanol
CID 154551883
(2-methylpropan-2-yl)oxy-[1-(4-phenylmethoxyphenyl)propan-2-ylamino]methanol
CID 163771613
5-methoxy-2-[1-(1-phenylpropan-2-ylamino)ethyl]phenol
CID 63012949
(2S)-2-phenyl-2-(1-phenylpropan-2-ylamino)ethanol
CID 107862161
2-methyl-3-(1-phenylpropan-2-ylamino)butanoic acid
CID 79398614
N-methyl-1-phenylpropan-2-amine
CID 118309477
molecular hydrogen;(2S)-1-phenyl-N-phosphanylpropan-2-amine
CID 144911741
(1-phenylpropan-2-ylamino)methanol
CID 54463712

Frequently Asked Questions

What is the IUPAC name of methoxy-[[(2S)-1-phenylpropan-2-yl]amino]methanol?
The IUPAC name of methoxy-[[(2S)-1-phenylpropan-2-yl]amino]methanol (CID 156733135) is methoxy-[[(2S)-1-phenylpropan-2-yl]amino]methanol.
What is the SMILES notation for methoxy-[[(2S)-1-phenylpropan-2-yl]amino]methanol?
The canonical SMILES for methoxy-[[(2S)-1-phenylpropan-2-yl]amino]methanol is COC(O)N[C@@H](C)Cc1ccccc1.
What is the InChIKey of methoxy-[[(2S)-1-phenylpropan-2-yl]amino]methanol?
The InChIKey is HKTOOCIVHREEPU-FTNKSUMCSA-N. The full InChI is InChI=1S/C11H17NO2/c1-9(12-11(13)14-2)8-10-6-4-3-5-7-10/h3-7,9,11-13H,8H2,1-2H3/t9-,11?/m0/s1.
What are the key properties of methoxy-[[(2S)-1-phenylpropan-2-yl]amino]methanol?
methoxy-[[(2S)-1-phenylpropan-2-yl]amino]methanol has a molecular weight of 195.26 g/mol, XLogP of 1.13, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methoxy-[[(2S)-1-phenylpropan-2-yl]amino]methanol is sourced from PubChem (CID 156733135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).